AWK command


 
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# 1  
Old 03-12-2012
AWK command

Code:
dr=`awk 'BEGIN{s=0}{s = s + $7^2 + $8^2 + $9^2}END{print sqrt(s)}' diff.pdb

`


I have a matrix with columns $7, $8, $9 of interest. What exactly is this AWK routine doing. Is this a loop, and if so, where are the bounds of the loop? Is it looping over each record? This is not my script, am just trying to understand what it does.
# 2  
Old 03-12-2012
Code:
dr=`awk 'BEGIN{s=0}{s = s + $7^2 + $8^2 + $9^2}END{print sqrt(s)}' diff.pdb`

The red part executes once for every line in the file; BEGIN {} at the beginning when no lines have been read, END {} after all lines have been read.
# 3  
Old 03-12-2012
It is taking each of the values found in columns 7, 8 and 9 to the second power, then aggregating those square values in variable "s". After doing that for all the records in the file is printing the square root of the variable "s".
# 4  
Old 03-12-2012
Consider values in test.pdb
Code:
ATOM      1  CAY ALA X   2      14.962  52.147  1.00  1.00       DIAL

Now, on my calculator
Quote:
sqrt(14.962^2 + 52.147^2 + (-10.171)^2)
gives 55.196


awk '{print sqrt($7^2 + $8^2 + $9^2)}' test.pdb
gives 54,7723



Could someone please try to explain this?




Consider a more difficult case called test2.pdb
Code:
ATOM      1  CAY ALA X   2      14.962  52.147 -10.171  1.00   1.00      DIAL
ATOM      5  CY  ALA X   2      14.566  51.759 -11.567  1.00  1.00       DIAL

Code:
awk 'BEGIN{s=0}{s = s + $7^2 + $8^2 + $9^2}END{print sqrt(s)}'  test2.pdb

gives

76,9285
# 5  
Old 03-12-2012
The value of $9 is missing in test.pdb. If I put in -10.171, I get 55.1925 and I get 55.1925 and also on my calculator. Maybe you made a typo?
test2.db gives 77.9203 with awk and also on the calculator...
This User Gave Thanks to Scrutinizer For This Post:
# 6  
Old 03-12-2012
Could you show me exactly what computation you do?

---------- Post updated at 04:47 PM ---------- Previous update was at 04:30 PM ----------

Ok, thanks. I got it now....
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